Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27427311 | 0.80 | TAAR1 (0.53) | IDO1DAO | |
| SCHEMBL27427314 | 0.78 | TAAR1 (0.47) | IDO1 | |
| SCHEMBL294824 | 0.74 | IDO1 (0.42) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL8508171 | 0.74 | DAO (0.39) | DAOCYP17A1CYP11B1 | |
| SCHEMBL2874578 | 0.73 | IDO1 (0.38) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL2561038 | 0.73 | DAO (0.40) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL16105495 | 0.72 | IDO1 (0.50) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| Ammonia Solution, Strong SCHEMBL6194233 | 0.72 | IDO1 (0.41) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL4197444 | 0.70 | NPC1 (0.50) | IDO1TRPV1 | |
| SCHEMBL14473767 | 0.69 | CNR1 (0.38) | IDO1DAOCYP17A1CYP21A2CYP11B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934284-A1 | SUBSTITUTED 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998015537-A1 | SUBSTITUTED 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-16 | — | — | WO | disclosed |